USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 HIS : no HD1:sc= -0.599 X(o=-1.5,f=-1.5) USER MOD Set 1.2: A 90 SER OG : rot 180:sc= -0.884 USER MOD Set 2.1: A 10 ASN : amide:sc= -0.229 K(o=0.16,f=-0.48) USER MOD Set 2.2: A 77 TYR OH : rot 180:sc= 0.389 USER MOD Single : A 9 LYS NZ :NH3+ 166:sc= -0.0486 (180deg=-0.25) USER MOD Single : A 13 MET CE :methyl -133:sc= -4.57! (180deg=-8.84!) USER MOD Single : A 14 SER OG : rot -28:sc= 1 USER MOD Single : A 17 MET CE :methyl 160:sc= -0.022 (180deg=-0.506) USER MOD Single : A 18 GLN : amide:sc= -10.7! C(o=-11!,f=-12!) USER MOD Single : A 19 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.44) USER MOD Single : A 24 CYS SG : rot 106:sc= -2.43! USER MOD Single : A 26 THR OG1 : rot 90:sc= 1.2 USER MOD Single : A 27 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 29 MET CE :methyl 158:sc= -0.165 (180deg=-1.15) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 56:sc= 0.505 USER MOD Single : A 33 ASN : amide:sc= -2.89 K(o=-2.9,f=-0.49) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= -0.0653 (180deg=-0.318) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= -0.436 (180deg=-0.498) USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= -0.506! (180deg=-1.64!) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= -0.0283 (180deg=-0.174) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= -0.047 (180deg=-0.264) USER MOD Single : A 50 TYR OH : rot 150:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -4.52! C(o=-4.5!,f=-2.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 55 HIS : no HD1:sc= -0.877 K(o=-0.88,f=-2.2) USER MOD Single : A 56 CYS SG : rot 31:sc= -1.96 USER MOD Single : A 61 SER OG : rot 64:sc= 0.169 USER MOD Single : A 63 ASN : amide:sc= -1.91 K(o=-1.9,f=-0.37) USER MOD Single : A 66 SER OG : rot -42:sc= 1.17 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -66:sc= 0.0692 USER MOD Single : A 72 THR OG1 : rot 169:sc= -2.62 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.549 K(o=0.55,f=-3.4!) USER MOD Single : A 79 TYR OH : rot 180:sc=-0.000376 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 154:sc= -1.86! (180deg=-3.47!) USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 4.184 7.061 8.111 1.00 0.00 N ATOM 90 CA ALA A 6 4.377 5.630 7.879 1.00 0.00 C ATOM 91 C ALA A 6 4.478 4.858 9.189 1.00 0.00 C ATOM 92 O ALA A 6 5.561 4.713 9.757 1.00 0.00 O ATOM 93 CB ALA A 6 5.609 5.379 7.017 1.00 0.00 C ATOM 0 HA ALA A 6 3.500 5.267 7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.730 4.307 6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.487 5.876 6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.492 5.774 7.520 1.00 0.00 H new ATOM 99 N VAL A 7 3.340 4.360 9.659 1.00 0.00 N ATOM 100 CA VAL A 7 3.290 3.596 10.897 1.00 0.00 C ATOM 101 C VAL A 7 2.472 2.319 10.715 1.00 0.00 C ATOM 102 O VAL A 7 1.243 2.343 10.787 1.00 0.00 O ATOM 103 CB VAL A 7 2.681 4.426 12.043 1.00 0.00 C ATOM 104 CG1 VAL A 7 2.678 3.632 13.343 1.00 0.00 C ATOM 105 CG2 VAL A 7 3.435 5.738 12.211 1.00 0.00 C ATOM 0 H VAL A 7 2.437 4.473 9.198 1.00 0.00 H new ATOM 0 HA VAL A 7 4.316 3.335 11.155 1.00 0.00 H new ATOM 0 HB VAL A 7 1.647 4.657 11.787 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.244 4.238 14.138 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.087 2.725 13.214 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.701 3.364 13.608 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.991 6.311 13.025 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.480 5.530 12.441 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.375 6.313 11.287 1.00 0.00 H new ATOM 115 N ILE A 8 3.160 1.206 10.478 1.00 0.00 N ATOM 116 CA ILE A 8 2.494 -0.078 10.288 1.00 0.00 C ATOM 117 C ILE A 8 1.627 -0.420 11.495 1.00 0.00 C ATOM 118 O ILE A 8 2.070 -0.320 12.638 1.00 0.00 O ATOM 119 CB ILE A 8 3.512 -1.212 10.057 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.408 -0.887 8.859 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.795 -2.539 9.841 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.449 -1.948 8.575 1.00 0.00 C ATOM 0 H ILE A 8 4.177 1.167 10.413 1.00 0.00 H new ATOM 0 HA ILE A 8 1.865 0.014 9.403 1.00 0.00 H new ATOM 0 HB ILE A 8 4.138 -1.300 10.945 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.784 -0.756 7.975 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.910 0.064 9.039 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.530 -3.328 9.680 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.196 -2.776 10.720 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.146 -2.464 8.969 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.047 -1.650 7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.097 -2.064 9.444 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.954 -2.896 8.363 1.00 0.00 H new ATOM 134 N LYS A 9 0.387 -0.823 11.235 1.00 0.00 N ATOM 135 CA LYS A 9 -0.537 -1.173 12.304 1.00 0.00 C ATOM 136 C LYS A 9 -0.454 -2.662 12.634 1.00 0.00 C ATOM 137 O LYS A 9 0.058 -3.039 13.688 1.00 0.00 O ATOM 138 CB LYS A 9 -1.967 -0.797 11.920 1.00 0.00 C ATOM 139 CG LYS A 9 -2.985 -1.083 13.012 1.00 0.00 C ATOM 140 CD LYS A 9 -4.388 -0.679 12.590 1.00 0.00 C ATOM 141 CE LYS A 9 -5.405 -0.976 13.679 1.00 0.00 C ATOM 142 NZ LYS A 9 -5.100 -0.246 14.940 1.00 0.00 N ATOM 0 H LYS A 9 0.001 -0.915 10.295 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.252 -0.609 13.192 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.001 0.264 11.672 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.248 -1.344 11.020 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.970 -2.145 13.255 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.708 -0.545 13.918 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.406 0.385 12.355 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.663 -1.212 11.679 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.400 -0.699 13.331 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.423 -2.048 13.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.926 -0.282 15.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.286 -0.691 15.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.874 0.745 14.721 1.00 0.00 H new ATOM 156 N ASN A 10 -0.954 -3.508 11.736 1.00 0.00 N ATOM 157 CA ASN A 10 -0.919 -4.949 11.964 1.00 0.00 C ATOM 158 C ASN A 10 -1.207 -5.725 10.684 1.00 0.00 C ATOM 159 O ASN A 10 -1.778 -5.192 9.734 1.00 0.00 O ATOM 160 CB ASN A 10 -1.924 -5.340 13.050 1.00 0.00 C ATOM 161 CG ASN A 10 -1.892 -6.823 13.364 1.00 0.00 C ATOM 162 OD1 ASN A 10 -0.864 -7.361 13.775 1.00 0.00 O ATOM 163 ND2 ASN A 10 -3.023 -7.493 13.174 1.00 0.00 N ATOM 0 H ASN A 10 -1.383 -3.225 10.855 1.00 0.00 H new ATOM 0 HA ASN A 10 0.087 -5.207 12.295 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.711 -4.775 13.958 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.928 -5.061 12.729 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.062 -8.493 13.370 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.852 -7.007 12.832 1.00 0.00 H new ATOM 170 N ALA A 11 -0.805 -6.993 10.673 1.00 0.00 N ATOM 171 CA ALA A 11 -1.013 -7.859 9.521 1.00 0.00 C ATOM 172 C ALA A 11 -1.072 -9.324 9.949 1.00 0.00 C ATOM 173 O ALA A 11 -0.703 -9.666 11.072 1.00 0.00 O ATOM 174 CB ALA A 11 0.096 -7.654 8.500 1.00 0.00 C ATOM 0 H ALA A 11 -0.331 -7.444 11.455 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.967 -7.596 9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.072 -8.308 7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.098 -6.616 8.169 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.058 -7.892 8.955 1.00 0.00 H new ATOM 180 N ASP A 12 -1.532 -10.189 9.049 1.00 0.00 N ATOM 181 CA ASP A 12 -1.632 -11.618 9.338 1.00 0.00 C ATOM 182 C ASP A 12 -1.029 -12.445 8.206 1.00 0.00 C ATOM 183 O ASP A 12 -1.462 -13.567 7.945 1.00 0.00 O ATOM 184 CB ASP A 12 -3.091 -12.021 9.560 1.00 0.00 C ATOM 185 CG ASP A 12 -3.700 -11.359 10.782 1.00 0.00 C ATOM 186 OD1 ASP A 12 -2.998 -10.563 11.441 1.00 0.00 O ATOM 187 OD2 ASP A 12 -4.879 -11.639 11.081 1.00 0.00 O ATOM 0 H ASP A 12 -1.842 -9.926 8.113 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.069 -11.816 10.250 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.675 -11.756 8.679 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.152 -13.104 9.669 1.00 0.00 H new ATOM 192 N MET A 13 -0.030 -11.879 7.542 1.00 0.00 N ATOM 193 CA MET A 13 0.643 -12.552 6.436 1.00 0.00 C ATOM 194 C MET A 13 1.931 -13.232 6.902 1.00 0.00 C ATOM 195 O MET A 13 2.228 -13.267 8.095 1.00 0.00 O ATOM 196 CB MET A 13 0.959 -11.542 5.338 1.00 0.00 C ATOM 197 CG MET A 13 -0.170 -11.319 4.352 1.00 0.00 C ATOM 198 SD MET A 13 -1.614 -10.566 5.114 1.00 0.00 S ATOM 199 CE MET A 13 -2.711 -10.445 3.704 1.00 0.00 C ATOM 0 H MET A 13 0.335 -10.950 7.751 1.00 0.00 H new ATOM 0 HA MET A 13 -0.024 -13.322 6.047 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.216 -10.589 5.800 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.841 -11.879 4.793 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.182 -10.682 3.540 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.454 -12.273 3.908 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.151 -9.448 3.670 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.148 -10.625 2.788 1.00 0.00 H new ATOM 0 HE3 MET A 13 -3.503 -11.188 3.794 1.00 0.00 H new ATOM 209 N SER A 14 2.690 -13.767 5.947 1.00 0.00 N ATOM 210 CA SER A 14 3.948 -14.444 6.254 1.00 0.00 C ATOM 211 C SER A 14 5.129 -13.471 6.237 1.00 0.00 C ATOM 212 O SER A 14 6.277 -13.887 6.386 1.00 0.00 O ATOM 213 CB SER A 14 4.194 -15.577 5.256 1.00 0.00 C ATOM 214 OG SER A 14 5.411 -16.248 5.537 1.00 0.00 O ATOM 0 H SER A 14 2.455 -13.745 4.955 1.00 0.00 H new ATOM 0 HA SER A 14 3.866 -14.857 7.259 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.367 -16.286 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.222 -15.174 4.243 1.00 0.00 H new ATOM 0 HG SER A 14 6.034 -15.628 5.970 1.00 0.00 H new ATOM 220 N GLU A 15 4.831 -12.179 6.057 1.00 0.00 N ATOM 221 CA GLU A 15 5.843 -11.115 6.017 1.00 0.00 C ATOM 222 C GLU A 15 6.305 -10.840 4.592 1.00 0.00 C ATOM 223 O GLU A 15 6.633 -9.701 4.242 1.00 0.00 O ATOM 224 CB GLU A 15 7.052 -11.437 6.907 1.00 0.00 C ATOM 225 CG GLU A 15 6.685 -11.736 8.351 1.00 0.00 C ATOM 226 CD GLU A 15 7.899 -12.034 9.210 1.00 0.00 C ATOM 227 OE1 GLU A 15 8.621 -13.004 8.899 1.00 0.00 O ATOM 228 OE2 GLU A 15 8.127 -11.297 10.192 1.00 0.00 O ATOM 0 H GLU A 15 3.877 -11.840 5.934 1.00 0.00 H new ATOM 0 HA GLU A 15 5.364 -10.217 6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.580 -12.295 6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.744 -10.595 6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.148 -10.885 8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.005 -12.588 8.381 1.00 0.00 H new ATOM 235 N ASP A 16 6.307 -11.873 3.763 1.00 0.00 N ATOM 236 CA ASP A 16 6.709 -11.714 2.374 1.00 0.00 C ATOM 237 C ASP A 16 5.769 -10.741 1.680 1.00 0.00 C ATOM 238 O ASP A 16 6.117 -10.123 0.672 1.00 0.00 O ATOM 239 CB ASP A 16 6.718 -13.063 1.653 1.00 0.00 C ATOM 240 CG ASP A 16 5.350 -13.712 1.619 1.00 0.00 C ATOM 241 OD1 ASP A 16 4.429 -13.124 1.016 1.00 0.00 O ATOM 242 OD2 ASP A 16 5.199 -14.811 2.194 1.00 0.00 O ATOM 0 H ASP A 16 6.038 -12.821 4.024 1.00 0.00 H new ATOM 0 HA ASP A 16 7.722 -11.313 2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.076 -12.924 0.633 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.422 -13.732 2.149 1.00 0.00 H new ATOM 247 N MET A 17 4.581 -10.588 2.250 1.00 0.00 N ATOM 248 CA MET A 17 3.602 -9.673 1.706 1.00 0.00 C ATOM 249 C MET A 17 3.781 -8.300 2.314 1.00 0.00 C ATOM 250 O MET A 17 3.474 -7.292 1.685 1.00 0.00 O ATOM 251 CB MET A 17 2.183 -10.195 1.930 1.00 0.00 C ATOM 252 CG MET A 17 1.854 -11.429 1.105 1.00 0.00 C ATOM 253 SD MET A 17 0.130 -11.935 1.257 1.00 0.00 S ATOM 254 CE MET A 17 0.105 -13.376 0.193 1.00 0.00 C ATOM 0 H MET A 17 4.278 -11.087 3.087 1.00 0.00 H new ATOM 0 HA MET A 17 3.757 -9.596 0.630 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.053 -10.429 2.987 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.471 -9.406 1.688 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.078 -11.230 0.057 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.498 -12.251 1.418 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.754 -13.999 0.444 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.032 -13.059 -0.847 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.022 -13.948 0.334 1.00 0.00 H new ATOM 264 N GLN A 18 4.319 -8.257 3.524 1.00 0.00 N ATOM 265 CA GLN A 18 4.577 -6.988 4.169 1.00 0.00 C ATOM 266 C GLN A 18 5.670 -6.269 3.395 1.00 0.00 C ATOM 267 O GLN A 18 5.746 -5.040 3.399 1.00 0.00 O ATOM 268 CB GLN A 18 5.015 -7.188 5.622 1.00 0.00 C ATOM 269 CG GLN A 18 4.118 -8.131 6.402 1.00 0.00 C ATOM 270 CD GLN A 18 2.688 -7.648 6.487 1.00 0.00 C ATOM 271 OE1 GLN A 18 2.394 -6.637 7.124 1.00 0.00 O ATOM 272 NE2 GLN A 18 1.793 -8.370 5.828 1.00 0.00 N ATOM 0 H GLN A 18 4.581 -9.078 4.070 1.00 0.00 H new ATOM 0 HA GLN A 18 3.662 -6.396 4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.034 -7.575 5.636 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.034 -6.220 6.123 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.137 -9.114 5.932 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.516 -8.252 7.410 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.086 -9.201 5.314 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.811 -8.095 5.835 1.00 0.00 H new ATOM 281 N GLN A 19 6.505 -7.049 2.704 1.00 0.00 N ATOM 282 CA GLN A 19 7.576 -6.472 1.907 1.00 0.00 C ATOM 283 C GLN A 19 7.075 -6.154 0.510 1.00 0.00 C ATOM 284 O GLN A 19 7.391 -5.104 -0.050 1.00 0.00 O ATOM 285 CB GLN A 19 8.792 -7.403 1.848 1.00 0.00 C ATOM 286 CG GLN A 19 8.463 -8.830 1.448 1.00 0.00 C ATOM 287 CD GLN A 19 9.710 -9.673 1.248 1.00 0.00 C ATOM 288 OE1 GLN A 19 10.452 -9.481 0.285 1.00 0.00 O ATOM 289 NE2 GLN A 19 9.959 -10.595 2.171 1.00 0.00 N ATOM 0 H GLN A 19 6.457 -8.068 2.683 1.00 0.00 H new ATOM 0 HA GLN A 19 7.894 -5.546 2.386 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.513 -6.996 1.140 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.276 -7.413 2.825 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.838 -9.286 2.216 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.881 -8.822 0.527 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.316 -10.720 2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.793 -11.178 2.098 1.00 0.00 H new ATOM 298 N ASP A 20 6.270 -7.053 -0.043 1.00 0.00 N ATOM 299 CA ASP A 20 5.706 -6.842 -1.367 1.00 0.00 C ATOM 300 C ASP A 20 4.586 -5.805 -1.308 1.00 0.00 C ATOM 301 O ASP A 20 4.247 -5.187 -2.318 1.00 0.00 O ATOM 302 CB ASP A 20 5.181 -8.158 -1.946 1.00 0.00 C ATOM 303 CG ASP A 20 4.631 -7.991 -3.350 1.00 0.00 C ATOM 304 OD1 ASP A 20 5.403 -7.589 -4.244 1.00 0.00 O ATOM 305 OD2 ASP A 20 3.431 -8.262 -3.552 1.00 0.00 O ATOM 0 H ASP A 20 5.996 -7.929 0.402 1.00 0.00 H new ATOM 0 HA ASP A 20 6.494 -6.469 -2.020 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.986 -8.893 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.399 -8.552 -1.296 1.00 0.00 H new ATOM 310 N ALA A 21 4.025 -5.610 -0.115 1.00 0.00 N ATOM 311 CA ALA A 21 2.960 -4.637 0.078 1.00 0.00 C ATOM 312 C ALA A 21 3.549 -3.253 0.282 1.00 0.00 C ATOM 313 O ALA A 21 3.140 -2.288 -0.365 1.00 0.00 O ATOM 314 CB ALA A 21 2.086 -5.023 1.261 1.00 0.00 C ATOM 0 H ALA A 21 4.293 -6.115 0.730 1.00 0.00 H new ATOM 0 HA ALA A 21 2.336 -4.625 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.297 -4.282 1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.640 -6.001 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.694 -5.063 2.165 1.00 0.00 H new ATOM 320 N VAL A 22 4.530 -3.165 1.173 1.00 0.00 N ATOM 321 CA VAL A 22 5.190 -1.898 1.443 1.00 0.00 C ATOM 322 C VAL A 22 5.932 -1.421 0.202 1.00 0.00 C ATOM 323 O VAL A 22 6.072 -0.218 -0.024 1.00 0.00 O ATOM 324 CB VAL A 22 6.176 -2.005 2.624 1.00 0.00 C ATOM 325 CG1 VAL A 22 6.909 -0.687 2.842 1.00 0.00 C ATOM 326 CG2 VAL A 22 5.443 -2.425 3.890 1.00 0.00 C ATOM 0 H VAL A 22 4.883 -3.953 1.717 1.00 0.00 H new ATOM 0 HA VAL A 22 4.418 -1.178 1.713 1.00 0.00 H new ATOM 0 HB VAL A 22 6.917 -2.767 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.598 -0.788 3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.467 -0.428 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.186 0.100 3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.152 -2.496 4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.680 -1.685 4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.971 -3.395 3.733 1.00 0.00 H new ATOM 336 N ASP A 23 6.392 -2.368 -0.613 1.00 0.00 N ATOM 337 CA ASP A 23 7.098 -2.025 -1.840 1.00 0.00 C ATOM 338 C ASP A 23 6.105 -1.715 -2.932 1.00 0.00 C ATOM 339 O ASP A 23 6.228 -0.710 -3.620 1.00 0.00 O ATOM 340 CB ASP A 23 8.039 -3.153 -2.267 1.00 0.00 C ATOM 341 CG ASP A 23 8.811 -2.818 -3.530 1.00 0.00 C ATOM 342 OD1 ASP A 23 9.556 -1.814 -3.522 1.00 0.00 O ATOM 343 OD2 ASP A 23 8.670 -3.559 -4.525 1.00 0.00 O ATOM 0 H ASP A 23 6.289 -3.369 -0.446 1.00 0.00 H new ATOM 0 HA ASP A 23 7.707 -1.140 -1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.741 -3.361 -1.460 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.461 -4.063 -2.429 1.00 0.00 H new ATOM 348 N CYS A 24 5.093 -2.549 -3.060 1.00 0.00 N ATOM 349 CA CYS A 24 4.063 -2.300 -4.048 1.00 0.00 C ATOM 350 C CYS A 24 3.331 -1.014 -3.682 1.00 0.00 C ATOM 351 O CYS A 24 2.672 -0.401 -4.518 1.00 0.00 O ATOM 352 CB CYS A 24 3.085 -3.475 -4.118 1.00 0.00 C ATOM 353 SG CYS A 24 1.775 -3.272 -5.348 1.00 0.00 S ATOM 0 H CYS A 24 4.962 -3.393 -2.502 1.00 0.00 H new ATOM 0 HA CYS A 24 4.521 -2.192 -5.031 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.642 -4.385 -4.343 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.630 -3.614 -3.137 1.00 0.00 H new ATOM 0 HG CYS A 24 2.016 -4.039 -6.370 1.00 0.00 H new ATOM 359 N ALA A 25 3.483 -0.596 -2.422 1.00 0.00 N ATOM 360 CA ALA A 25 2.859 0.625 -1.943 1.00 0.00 C ATOM 361 C ALA A 25 3.786 1.809 -2.162 1.00 0.00 C ATOM 362 O ALA A 25 3.340 2.913 -2.470 1.00 0.00 O ATOM 363 CB ALA A 25 2.497 0.497 -0.471 1.00 0.00 C ATOM 0 H ALA A 25 4.034 -1.090 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 25 1.942 0.792 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.031 1.421 -0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.801 -0.331 -0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.400 0.309 0.111 1.00 0.00 H new ATOM 369 N THR A 26 5.084 1.565 -2.013 1.00 0.00 N ATOM 370 CA THR A 26 6.080 2.607 -2.209 1.00 0.00 C ATOM 371 C THR A 26 6.274 2.871 -3.694 1.00 0.00 C ATOM 372 O THR A 26 6.479 4.011 -4.111 1.00 0.00 O ATOM 373 CB THR A 26 7.408 2.209 -1.563 1.00 0.00 C ATOM 374 OG1 THR A 26 7.243 1.984 -0.175 1.00 0.00 O ATOM 375 CG2 THR A 26 8.494 3.250 -1.735 1.00 0.00 C ATOM 0 H THR A 26 5.468 0.655 -1.757 1.00 0.00 H new ATOM 0 HA THR A 26 5.726 3.521 -1.732 1.00 0.00 H new ATOM 0 HB THR A 26 7.717 1.298 -2.076 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.025 1.041 -0.020 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.409 2.904 -1.253 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.681 3.409 -2.797 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.175 4.187 -1.278 1.00 0.00 H new ATOM 383 N GLN A 27 6.187 1.813 -4.492 1.00 0.00 N ATOM 384 CA GLN A 27 6.333 1.944 -5.935 1.00 0.00 C ATOM 385 C GLN A 27 5.038 2.464 -6.532 1.00 0.00 C ATOM 386 O GLN A 27 5.051 3.319 -7.417 1.00 0.00 O ATOM 387 CB GLN A 27 6.713 0.606 -6.576 1.00 0.00 C ATOM 388 CG GLN A 27 7.971 -0.020 -5.991 1.00 0.00 C ATOM 389 CD GLN A 27 9.141 0.941 -5.941 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.581 1.460 -6.968 1.00 0.00 O ATOM 391 NE2 GLN A 27 9.651 1.183 -4.738 1.00 0.00 N ATOM 0 H GLN A 27 6.017 0.861 -4.166 1.00 0.00 H new ATOM 0 HA GLN A 27 7.137 2.652 -6.139 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.883 -0.091 -6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.856 0.754 -7.646 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.758 -0.377 -4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.248 -0.890 -6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.254 0.730 -3.915 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.440 1.822 -4.638 1.00 0.00 H new ATOM 400 N ALA A 28 3.918 1.958 -6.031 1.00 0.00 N ATOM 401 CA ALA A 28 2.622 2.398 -6.513 1.00 0.00 C ATOM 402 C ALA A 28 2.358 3.835 -6.078 1.00 0.00 C ATOM 403 O ALA A 28 1.756 4.615 -6.813 1.00 0.00 O ATOM 404 CB ALA A 28 1.518 1.474 -6.026 1.00 0.00 C ATOM 0 H ALA A 28 3.884 1.249 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 28 2.629 2.361 -7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.557 1.826 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.702 0.463 -6.391 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.502 1.469 -4.936 1.00 0.00 H new ATOM 410 N MET A 29 2.825 4.184 -4.881 1.00 0.00 N ATOM 411 CA MET A 29 2.649 5.529 -4.359 1.00 0.00 C ATOM 412 C MET A 29 3.659 6.480 -4.993 1.00 0.00 C ATOM 413 O MET A 29 3.417 7.682 -5.092 1.00 0.00 O ATOM 414 CB MET A 29 2.810 5.527 -2.840 1.00 0.00 C ATOM 415 CG MET A 29 2.722 6.907 -2.216 1.00 0.00 C ATOM 416 SD MET A 29 1.117 7.687 -2.472 1.00 0.00 S ATOM 417 CE MET A 29 0.039 6.521 -1.642 1.00 0.00 C ATOM 0 H MET A 29 3.327 3.551 -4.258 1.00 0.00 H new ATOM 0 HA MET A 29 1.645 5.872 -4.607 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.041 4.890 -2.403 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.773 5.084 -2.586 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.917 6.830 -1.146 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.501 7.542 -2.638 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.891 7.018 -1.367 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.179 5.688 -2.310 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.530 6.147 -0.744 1.00 0.00 H new ATOM 427 N GLU A 30 4.787 5.927 -5.425 1.00 0.00 N ATOM 428 CA GLU A 30 5.829 6.714 -6.055 1.00 0.00 C ATOM 429 C GLU A 30 5.539 6.880 -7.542 1.00 0.00 C ATOM 430 O GLU A 30 5.758 7.948 -8.114 1.00 0.00 O ATOM 431 CB GLU A 30 7.189 6.046 -5.855 1.00 0.00 C ATOM 432 CG GLU A 30 8.333 6.791 -6.515 1.00 0.00 C ATOM 433 CD GLU A 30 9.672 6.113 -6.301 1.00 0.00 C ATOM 434 OE1 GLU A 30 9.820 4.947 -6.722 1.00 0.00 O ATOM 435 OE2 GLU A 30 10.573 6.750 -5.714 1.00 0.00 O ATOM 0 H GLU A 30 4.999 4.932 -5.348 1.00 0.00 H new ATOM 0 HA GLU A 30 5.851 7.700 -5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.390 5.961 -4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.149 5.032 -6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.139 6.874 -7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.377 7.806 -6.120 1.00 0.00 H new ATOM 442 N LYS A 31 5.040 5.814 -8.158 1.00 0.00 N ATOM 443 CA LYS A 31 4.712 5.839 -9.577 1.00 0.00 C ATOM 444 C LYS A 31 3.291 6.352 -9.806 1.00 0.00 C ATOM 445 O LYS A 31 2.974 6.860 -10.881 1.00 0.00 O ATOM 446 CB LYS A 31 4.877 4.445 -10.188 1.00 0.00 C ATOM 447 CG LYS A 31 4.628 4.408 -11.688 1.00 0.00 C ATOM 448 CD LYS A 31 4.898 3.030 -12.270 1.00 0.00 C ATOM 449 CE LYS A 31 6.349 2.615 -12.075 1.00 0.00 C ATOM 450 NZ LYS A 31 6.629 1.279 -12.670 1.00 0.00 N ATOM 0 H LYS A 31 4.854 4.923 -7.697 1.00 0.00 H new ATOM 0 HA LYS A 31 5.403 6.524 -10.069 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.886 4.085 -9.986 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.189 3.757 -9.696 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.596 4.693 -11.893 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.265 5.142 -12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.243 2.299 -11.796 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.659 3.030 -13.333 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.004 3.359 -12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.581 2.594 -11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.628 1.033 -12.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.023 0.564 -12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.433 1.306 -13.691 1.00 0.00 H new ATOM 464 N TYR A 32 2.438 6.227 -8.788 1.00 0.00 N ATOM 465 CA TYR A 32 1.057 6.692 -8.892 1.00 0.00 C ATOM 466 C TYR A 32 0.688 7.563 -7.698 1.00 0.00 C ATOM 467 O TYR A 32 0.902 7.182 -6.548 1.00 0.00 O ATOM 468 CB TYR A 32 0.088 5.514 -8.995 1.00 0.00 C ATOM 469 CG TYR A 32 0.451 4.519 -10.072 1.00 0.00 C ATOM 470 CD1 TYR A 32 1.512 3.641 -9.904 1.00 0.00 C ATOM 471 CD2 TYR A 32 -0.268 4.461 -11.259 1.00 0.00 C ATOM 472 CE1 TYR A 32 1.847 2.731 -10.890 1.00 0.00 C ATOM 473 CE2 TYR A 32 0.060 3.555 -12.248 1.00 0.00 C ATOM 474 CZ TYR A 32 1.118 2.693 -12.059 1.00 0.00 C ATOM 475 OH TYR A 32 1.448 1.788 -13.043 1.00 0.00 O ATOM 0 H TYR A 32 2.678 5.810 -7.889 1.00 0.00 H new ATOM 0 HA TYR A 32 0.977 7.289 -9.801 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.053 4.999 -8.035 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.914 5.896 -9.189 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.085 3.669 -8.989 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.097 5.136 -11.411 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.676 2.054 -10.745 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.510 3.522 -13.165 1.00 0.00 H new ATOM 0 HH TYR A 32 1.441 0.882 -12.670 1.00 0.00 H new ATOM 485 N ASN A 33 0.132 8.734 -7.984 1.00 0.00 N ATOM 486 CA ASN A 33 -0.271 9.667 -6.941 1.00 0.00 C ATOM 487 C ASN A 33 -1.772 9.938 -7.002 1.00 0.00 C ATOM 488 O ASN A 33 -2.268 10.861 -6.359 1.00 0.00 O ATOM 489 CB ASN A 33 0.498 10.986 -7.082 1.00 0.00 C ATOM 490 CG ASN A 33 2.006 10.844 -6.903 1.00 0.00 C ATOM 491 OD1 ASN A 33 2.756 11.775 -7.191 1.00 0.00 O ATOM 492 ND2 ASN A 33 2.462 9.695 -6.407 1.00 0.00 N ATOM 0 H ASN A 33 -0.050 9.060 -8.933 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.038 9.216 -5.977 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.297 11.409 -8.066 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.120 11.696 -6.347 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.462 9.566 -6.255 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.811 8.944 -6.179 1.00 0.00 H new ATOM 499 N ILE A 34 -2.495 9.130 -7.777 1.00 0.00 N ATOM 500 CA ILE A 34 -3.941 9.303 -7.903 1.00 0.00 C ATOM 501 C ILE A 34 -4.635 8.911 -6.609 1.00 0.00 C ATOM 502 O ILE A 34 -5.610 9.538 -6.197 1.00 0.00 O ATOM 503 CB ILE A 34 -4.545 8.439 -9.033 1.00 0.00 C ATOM 504 CG1 ILE A 34 -3.549 8.238 -10.176 1.00 0.00 C ATOM 505 CG2 ILE A 34 -5.832 9.074 -9.543 1.00 0.00 C ATOM 506 CD1 ILE A 34 -4.162 7.646 -11.428 1.00 0.00 C ATOM 0 H ILE A 34 -2.109 8.358 -8.321 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.101 10.356 -8.135 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.775 7.455 -8.624 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.097 9.198 -10.424 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.745 7.586 -9.834 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.251 8.458 -10.339 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.550 9.148 -8.726 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.618 10.070 -9.929 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.393 7.534 -12.192 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.589 6.670 -11.198 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.946 8.307 -11.797 1.00 0.00 H new ATOM 518 N GLU A 35 -4.122 7.844 -5.996 1.00 0.00 N ATOM 519 CA GLU A 35 -4.661 7.291 -4.753 1.00 0.00 C ATOM 520 C GLU A 35 -5.747 6.263 -5.054 1.00 0.00 C ATOM 521 O GLU A 35 -6.004 5.364 -4.255 1.00 0.00 O ATOM 522 CB GLU A 35 -5.216 8.385 -3.830 1.00 0.00 C ATOM 523 CG GLU A 35 -4.228 9.502 -3.529 1.00 0.00 C ATOM 524 CD GLU A 35 -3.038 9.031 -2.716 1.00 0.00 C ATOM 525 OE1 GLU A 35 -2.300 8.148 -3.199 1.00 0.00 O ATOM 526 OE2 GLU A 35 -2.848 9.543 -1.594 1.00 0.00 O ATOM 0 H GLU A 35 -3.313 7.334 -6.352 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.837 6.804 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.106 8.815 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.530 7.929 -2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.875 9.931 -4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.740 10.298 -2.988 1.00 0.00 H new ATOM 533 N LYS A 36 -6.369 6.396 -6.219 1.00 0.00 N ATOM 534 CA LYS A 36 -7.411 5.477 -6.640 1.00 0.00 C ATOM 535 C LYS A 36 -6.851 4.467 -7.637 1.00 0.00 C ATOM 536 O LYS A 36 -7.387 3.370 -7.789 1.00 0.00 O ATOM 537 CB LYS A 36 -8.580 6.255 -7.252 1.00 0.00 C ATOM 538 CG LYS A 36 -9.719 5.381 -7.761 1.00 0.00 C ATOM 539 CD LYS A 36 -9.496 4.937 -9.200 1.00 0.00 C ATOM 540 CE LYS A 36 -10.654 4.093 -9.706 1.00 0.00 C ATOM 541 NZ LYS A 36 -11.942 4.838 -9.669 1.00 0.00 N ATOM 0 H LYS A 36 -6.166 7.137 -6.890 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.778 4.931 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.973 6.944 -6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.205 6.860 -8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.817 4.504 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.657 5.931 -7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.376 5.813 -9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.571 4.365 -9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.450 3.772 -10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.739 3.192 -9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.644 4.347 -10.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.287 4.887 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.796 5.801 -10.033 1.00 0.00 H new ATOM 555 N ASP A 37 -5.747 4.830 -8.292 1.00 0.00 N ATOM 556 CA ASP A 37 -5.102 3.945 -9.242 1.00 0.00 C ATOM 557 C ASP A 37 -4.043 3.131 -8.529 1.00 0.00 C ATOM 558 O ASP A 37 -3.609 2.087 -9.010 1.00 0.00 O ATOM 559 CB ASP A 37 -4.489 4.733 -10.399 1.00 0.00 C ATOM 560 CG ASP A 37 -4.031 3.830 -11.528 1.00 0.00 C ATOM 561 OD1 ASP A 37 -4.879 3.104 -12.087 1.00 0.00 O ATOM 562 OD2 ASP A 37 -2.827 3.849 -11.853 1.00 0.00 O ATOM 0 H ASP A 37 -5.287 5.733 -8.177 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.850 3.273 -9.663 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.221 5.445 -10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.641 5.313 -10.033 1.00 0.00 H new ATOM 567 N ILE A 38 -3.649 3.616 -7.355 1.00 0.00 N ATOM 568 CA ILE A 38 -2.662 2.936 -6.545 1.00 0.00 C ATOM 569 C ILE A 38 -3.336 1.761 -5.879 1.00 0.00 C ATOM 570 O ILE A 38 -2.740 0.709 -5.674 1.00 0.00 O ATOM 571 CB ILE A 38 -2.082 3.861 -5.462 1.00 0.00 C ATOM 572 CG1 ILE A 38 -2.257 5.329 -5.860 1.00 0.00 C ATOM 573 CG2 ILE A 38 -0.617 3.530 -5.222 1.00 0.00 C ATOM 574 CD1 ILE A 38 -1.489 6.292 -4.986 1.00 0.00 C ATOM 0 H ILE A 38 -4.004 4.481 -6.948 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.840 2.615 -7.185 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.626 3.700 -4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.937 5.456 -6.894 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.316 5.583 -5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.216 4.191 -4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.527 2.495 -4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.057 3.667 -6.147 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.662 7.312 -5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.825 6.194 -3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.424 6.066 -5.044 1.00 0.00 H new ATOM 586 N ALA A 39 -4.611 1.954 -5.581 1.00 0.00 N ATOM 587 CA ALA A 39 -5.414 0.910 -4.970 1.00 0.00 C ATOM 588 C ALA A 39 -5.814 -0.096 -6.036 1.00 0.00 C ATOM 589 O ALA A 39 -5.940 -1.293 -5.773 1.00 0.00 O ATOM 590 CB ALA A 39 -6.645 1.503 -4.301 1.00 0.00 C ATOM 0 H ALA A 39 -5.112 2.826 -5.753 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.829 0.407 -4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.234 0.705 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.336 2.207 -3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.249 2.022 -5.045 1.00 0.00 H new ATOM 596 N ALA A 40 -5.982 0.407 -7.253 1.00 0.00 N ATOM 597 CA ALA A 40 -6.342 -0.434 -8.384 1.00 0.00 C ATOM 598 C ALA A 40 -5.097 -1.076 -8.981 1.00 0.00 C ATOM 599 O ALA A 40 -5.166 -2.144 -9.585 1.00 0.00 O ATOM 600 CB ALA A 40 -7.080 0.381 -9.437 1.00 0.00 C ATOM 0 H ALA A 40 -5.874 1.395 -7.480 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.005 -1.225 -8.034 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.343 -0.262 -10.277 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.988 0.800 -9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.439 1.190 -9.786 1.00 0.00 H new ATOM 606 N TYR A 41 -3.955 -0.424 -8.793 1.00 0.00 N ATOM 607 CA TYR A 41 -2.687 -0.940 -9.302 1.00 0.00 C ATOM 608 C TYR A 41 -2.137 -1.997 -8.352 1.00 0.00 C ATOM 609 O TYR A 41 -1.473 -2.944 -8.766 1.00 0.00 O ATOM 610 CB TYR A 41 -1.683 0.203 -9.482 1.00 0.00 C ATOM 611 CG TYR A 41 -0.358 -0.224 -10.074 1.00 0.00 C ATOM 612 CD1 TYR A 41 -0.306 -0.964 -11.249 1.00 0.00 C ATOM 613 CD2 TYR A 41 0.842 0.123 -9.465 1.00 0.00 C ATOM 614 CE1 TYR A 41 0.903 -1.347 -11.798 1.00 0.00 C ATOM 615 CE2 TYR A 41 2.055 -0.256 -10.008 1.00 0.00 C ATOM 616 CZ TYR A 41 2.080 -0.991 -11.174 1.00 0.00 C ATOM 617 OH TYR A 41 3.285 -1.370 -11.719 1.00 0.00 O ATOM 0 H TYR A 41 -3.880 0.462 -8.293 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.856 -1.402 -10.275 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.127 0.964 -10.124 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.502 0.669 -8.513 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.225 -1.244 -11.741 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.826 0.699 -8.551 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.926 -1.923 -12.712 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.978 0.022 -9.522 1.00 0.00 H new ATOM 0 HH TYR A 41 4.017 -1.038 -11.158 1.00 0.00 H new ATOM 627 N ILE A 42 -2.465 -1.840 -7.079 1.00 0.00 N ATOM 628 CA ILE A 42 -2.054 -2.784 -6.051 1.00 0.00 C ATOM 629 C ILE A 42 -3.043 -3.933 -6.019 1.00 0.00 C ATOM 630 O ILE A 42 -2.699 -5.065 -5.677 1.00 0.00 O ATOM 631 CB ILE A 42 -1.994 -2.112 -4.664 1.00 0.00 C ATOM 632 CG1 ILE A 42 -0.944 -1.000 -4.659 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.683 -3.139 -3.582 1.00 0.00 C ATOM 634 CD1 ILE A 42 -1.136 0.003 -3.543 1.00 0.00 C ATOM 0 H ILE A 42 -3.021 -1.059 -6.730 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.055 -3.148 -6.289 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.969 -1.674 -4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.046 -1.446 -4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.974 -0.478 -5.616 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.645 -2.645 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.461 -3.902 -3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.720 -3.606 -3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.357 0.763 -3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.113 0.476 -3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.077 -0.507 -2.581 1.00 0.00 H new ATOM 646 N LYS A 43 -4.275 -3.632 -6.418 1.00 0.00 N ATOM 647 CA LYS A 43 -5.320 -4.631 -6.479 1.00 0.00 C ATOM 648 C LYS A 43 -5.076 -5.504 -7.693 1.00 0.00 C ATOM 649 O LYS A 43 -5.301 -6.711 -7.664 1.00 0.00 O ATOM 650 CB LYS A 43 -6.698 -3.971 -6.571 1.00 0.00 C ATOM 651 CG LYS A 43 -7.844 -4.967 -6.636 1.00 0.00 C ATOM 652 CD LYS A 43 -9.190 -4.263 -6.708 1.00 0.00 C ATOM 653 CE LYS A 43 -10.336 -5.260 -6.788 1.00 0.00 C ATOM 654 NZ LYS A 43 -10.377 -6.161 -5.601 1.00 0.00 N ATOM 0 H LYS A 43 -4.568 -2.698 -6.704 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.301 -5.235 -5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.840 -3.322 -5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.729 -3.335 -7.456 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.721 -5.609 -7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.816 -5.613 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.318 -3.629 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.214 -3.609 -7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.280 -4.721 -6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.234 -5.858 -7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.151 -6.846 -5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.474 -6.670 -5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.535 -5.596 -4.742 1.00 0.00 H new ATOM 668 N LYS A 44 -4.577 -4.882 -8.755 1.00 0.00 N ATOM 669 CA LYS A 44 -4.269 -5.615 -9.973 1.00 0.00 C ATOM 670 C LYS A 44 -2.961 -6.377 -9.809 1.00 0.00 C ATOM 671 O LYS A 44 -2.756 -7.417 -10.436 1.00 0.00 O ATOM 672 CB LYS A 44 -4.186 -4.678 -11.181 1.00 0.00 C ATOM 673 CG LYS A 44 -5.540 -4.191 -11.673 1.00 0.00 C ATOM 674 CD LYS A 44 -5.414 -3.419 -12.977 1.00 0.00 C ATOM 675 CE LYS A 44 -4.529 -2.191 -12.828 1.00 0.00 C ATOM 676 NZ LYS A 44 -5.137 -1.170 -11.932 1.00 0.00 N ATOM 0 H LYS A 44 -4.379 -3.882 -8.796 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.077 -6.324 -10.153 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.573 -3.816 -10.919 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.678 -5.194 -11.995 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.204 -5.043 -11.816 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.997 -3.555 -10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.002 -4.072 -13.747 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.404 -3.114 -13.315 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.559 -2.490 -12.431 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.351 -1.752 -13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.399 -0.516 -11.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.862 -0.638 -12.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.575 -1.642 -11.115 1.00 0.00 H new ATOM 690 N GLU A 45 -2.080 -5.859 -8.956 1.00 0.00 N ATOM 691 CA GLU A 45 -0.791 -6.507 -8.719 1.00 0.00 C ATOM 692 C GLU A 45 -0.922 -7.722 -7.803 1.00 0.00 C ATOM 693 O GLU A 45 -0.181 -8.691 -7.945 1.00 0.00 O ATOM 694 CB GLU A 45 0.213 -5.522 -8.121 1.00 0.00 C ATOM 695 CG GLU A 45 0.829 -4.580 -9.140 1.00 0.00 C ATOM 696 CD GLU A 45 1.781 -3.589 -8.503 1.00 0.00 C ATOM 697 OE1 GLU A 45 2.825 -4.023 -7.972 1.00 0.00 O ATOM 698 OE2 GLU A 45 1.478 -2.379 -8.525 1.00 0.00 O ATOM 0 H GLU A 45 -2.231 -5.003 -8.423 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.428 -6.849 -9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.285 -4.933 -7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.009 -6.082 -7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.362 -5.161 -9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.037 -4.039 -9.657 1.00 0.00 H new ATOM 705 N PHE A 46 -1.849 -7.664 -6.855 1.00 0.00 N ATOM 706 CA PHE A 46 -2.034 -8.768 -5.919 1.00 0.00 C ATOM 707 C PHE A 46 -3.049 -9.798 -6.420 1.00 0.00 C ATOM 708 O PHE A 46 -3.020 -10.954 -6.001 1.00 0.00 O ATOM 709 CB PHE A 46 -2.429 -8.238 -4.538 1.00 0.00 C ATOM 710 CG PHE A 46 -1.257 -7.707 -3.756 1.00 0.00 C ATOM 711 CD1 PHE A 46 -0.239 -8.559 -3.357 1.00 0.00 C ATOM 712 CD2 PHE A 46 -1.168 -6.364 -3.423 1.00 0.00 C ATOM 713 CE1 PHE A 46 0.845 -8.084 -2.643 1.00 0.00 C ATOM 714 CE2 PHE A 46 -0.086 -5.882 -2.709 1.00 0.00 C ATOM 715 CZ PHE A 46 0.923 -6.743 -2.317 1.00 0.00 C ATOM 0 H PHE A 46 -2.479 -6.874 -6.714 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.078 -9.285 -5.839 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.169 -7.446 -4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.906 -9.037 -3.971 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.294 -9.608 -3.607 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.953 -5.686 -3.725 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.631 -8.760 -2.340 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.029 -4.833 -2.458 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.768 -6.369 -1.758 1.00 0.00 H new ATOM 725 N ASP A 47 -3.940 -9.391 -7.317 1.00 0.00 N ATOM 726 CA ASP A 47 -4.939 -10.303 -7.858 1.00 0.00 C ATOM 727 C ASP A 47 -4.397 -11.050 -9.075 1.00 0.00 C ATOM 728 O ASP A 47 -4.671 -12.235 -9.262 1.00 0.00 O ATOM 729 CB ASP A 47 -6.200 -9.534 -8.259 1.00 0.00 C ATOM 730 CG ASP A 47 -6.806 -8.752 -7.111 1.00 0.00 C ATOM 731 OD1 ASP A 47 -6.304 -8.876 -5.976 1.00 0.00 O ATOM 732 OD2 ASP A 47 -7.780 -8.008 -7.350 1.00 0.00 O ATOM 0 H ASP A 47 -3.991 -8.440 -7.683 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.184 -11.026 -7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.958 -8.848 -9.071 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.940 -10.236 -8.644 1.00 0.00 H new ATOM 737 N LYS A 48 -3.651 -10.338 -9.916 1.00 0.00 N ATOM 738 CA LYS A 48 -3.098 -10.919 -11.138 1.00 0.00 C ATOM 739 C LYS A 48 -1.706 -11.529 -10.940 1.00 0.00 C ATOM 740 O LYS A 48 -1.178 -12.167 -11.850 1.00 0.00 O ATOM 741 CB LYS A 48 -3.043 -9.854 -12.237 1.00 0.00 C ATOM 742 CG LYS A 48 -2.539 -10.375 -13.574 1.00 0.00 C ATOM 743 CD LYS A 48 -2.532 -9.284 -14.631 1.00 0.00 C ATOM 744 CE LYS A 48 -3.927 -8.725 -14.869 1.00 0.00 C ATOM 745 NZ LYS A 48 -4.882 -9.779 -15.310 1.00 0.00 N ATOM 0 H LYS A 48 -3.415 -9.356 -9.774 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.761 -11.734 -11.428 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.040 -9.435 -12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.397 -9.040 -11.908 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.531 -10.773 -13.454 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.170 -11.200 -13.905 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.865 -8.480 -14.320 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.135 -9.684 -15.564 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.294 -8.264 -13.952 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.879 -7.940 -15.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.763 -9.334 -15.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.460 -10.327 -16.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.091 -10.413 -14.513 1.00 0.00 H new ATOM 759 N LYS A 49 -1.101 -11.335 -9.770 1.00 0.00 N ATOM 760 CA LYS A 49 0.236 -11.881 -9.524 1.00 0.00 C ATOM 761 C LYS A 49 0.308 -12.612 -8.186 1.00 0.00 C ATOM 762 O LYS A 49 1.302 -12.520 -7.471 1.00 0.00 O ATOM 763 CB LYS A 49 1.283 -10.765 -9.571 1.00 0.00 C ATOM 764 CG LYS A 49 2.719 -11.268 -9.605 1.00 0.00 C ATOM 765 CD LYS A 49 2.973 -12.146 -10.820 1.00 0.00 C ATOM 766 CE LYS A 49 4.414 -12.627 -10.869 1.00 0.00 C ATOM 767 NZ LYS A 49 4.775 -13.429 -9.667 1.00 0.00 N ATOM 0 H LYS A 49 -1.503 -10.815 -8.990 1.00 0.00 H new ATOM 0 HA LYS A 49 0.447 -12.604 -10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.103 -10.148 -10.452 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.154 -10.122 -8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.403 -10.419 -9.619 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.930 -11.832 -8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.302 -13.005 -10.796 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.744 -11.588 -11.728 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.565 -13.229 -11.765 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.081 -11.768 -10.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.686 -13.905 -9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.853 -12.801 -8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.038 -14.142 -9.491 1.00 0.00 H new ATOM 781 N TYR A 50 -0.750 -13.349 -7.868 1.00 0.00 N ATOM 782 CA TYR A 50 -0.819 -14.115 -6.625 1.00 0.00 C ATOM 783 C TYR A 50 -2.044 -15.021 -6.615 1.00 0.00 C ATOM 784 O TYR A 50 -1.988 -16.128 -6.087 1.00 0.00 O ATOM 785 CB TYR A 50 -0.838 -13.191 -5.403 1.00 0.00 C ATOM 786 CG TYR A 50 0.530 -12.706 -4.984 1.00 0.00 C ATOM 787 CD1 TYR A 50 1.514 -13.603 -4.585 1.00 0.00 C ATOM 788 CD2 TYR A 50 0.841 -11.353 -4.988 1.00 0.00 C ATOM 789 CE1 TYR A 50 2.766 -13.166 -4.203 1.00 0.00 C ATOM 790 CE2 TYR A 50 2.092 -10.907 -4.605 1.00 0.00 C ATOM 791 CZ TYR A 50 3.052 -11.818 -4.214 1.00 0.00 C ATOM 792 OH TYR A 50 4.298 -11.377 -3.833 1.00 0.00 O ATOM 0 H TYR A 50 -1.578 -13.434 -8.457 1.00 0.00 H new ATOM 0 HA TYR A 50 0.076 -14.735 -6.571 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.468 -12.329 -5.621 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.298 -13.719 -4.567 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.295 -14.660 -4.574 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.093 -10.637 -5.295 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.519 -13.877 -3.897 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.317 -9.851 -4.612 1.00 0.00 H new ATOM 0 HH TYR A 50 4.514 -10.551 -4.314 1.00 0.00 H new ATOM 802 N ASN A 51 -3.142 -14.523 -7.204 1.00 0.00 N ATOM 803 CA ASN A 51 -4.422 -15.242 -7.298 1.00 0.00 C ATOM 804 C ASN A 51 -5.548 -14.360 -6.776 1.00 0.00 C ATOM 805 O ASN A 51 -5.524 -13.930 -5.623 1.00 0.00 O ATOM 806 CB ASN A 51 -4.426 -16.579 -6.536 1.00 0.00 C ATOM 807 CG ASN A 51 -3.615 -17.678 -7.217 1.00 0.00 C ATOM 808 OD1 ASN A 51 -3.600 -18.817 -6.755 1.00 0.00 O ATOM 809 ND2 ASN A 51 -2.927 -17.347 -8.310 1.00 0.00 N ATOM 0 H ASN A 51 -3.166 -13.598 -7.634 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.572 -15.475 -8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.030 -16.416 -5.533 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.456 -16.918 -6.421 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.365 -18.049 -8.791 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.963 -16.392 -8.665 1.00 0.00 H new ATOM 816 N PRO A 52 -6.554 -14.067 -7.617 1.00 0.00 N ATOM 817 CA PRO A 52 -7.679 -13.224 -7.218 1.00 0.00 C ATOM 818 C PRO A 52 -8.421 -13.798 -6.005 1.00 0.00 C ATOM 819 O PRO A 52 -8.532 -15.017 -5.864 1.00 0.00 O ATOM 820 CB PRO A 52 -8.592 -13.214 -8.452 1.00 0.00 C ATOM 821 CG PRO A 52 -8.140 -14.363 -9.289 1.00 0.00 C ATOM 822 CD PRO A 52 -6.676 -14.526 -9.011 1.00 0.00 C ATOM 0 HA PRO A 52 -7.354 -12.228 -6.917 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.638 -13.323 -8.167 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.506 -12.274 -8.996 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.689 -15.270 -9.035 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.317 -14.169 -10.347 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.356 -15.562 -9.125 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.067 -13.928 -9.688 1.00 0.00 H new ATOM 830 N THR A 53 -8.931 -12.927 -5.126 1.00 0.00 N ATOM 831 CA THR A 53 -8.800 -11.490 -5.291 1.00 0.00 C ATOM 832 C THR A 53 -8.526 -10.824 -3.959 1.00 0.00 C ATOM 833 O THR A 53 -8.925 -11.316 -2.905 1.00 0.00 O ATOM 834 CB THR A 53 -10.063 -10.904 -5.903 1.00 0.00 C ATOM 835 OG1 THR A 53 -10.579 -11.755 -6.915 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.832 -9.544 -6.523 1.00 0.00 C ATOM 0 H THR A 53 -9.442 -13.205 -4.288 1.00 0.00 H new ATOM 0 HA THR A 53 -7.961 -11.304 -5.961 1.00 0.00 H new ATOM 0 HB THR A 53 -10.771 -10.806 -5.080 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.392 -11.359 -7.293 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.766 -9.173 -6.945 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.478 -8.851 -5.759 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.085 -9.626 -7.313 1.00 0.00 H new ATOM 844 N TRP A 54 -7.839 -9.701 -4.021 1.00 0.00 N ATOM 845 CA TRP A 54 -7.499 -8.950 -2.827 1.00 0.00 C ATOM 846 C TRP A 54 -8.341 -7.688 -2.726 1.00 0.00 C ATOM 847 O TRP A 54 -8.897 -7.220 -3.719 1.00 0.00 O ATOM 848 CB TRP A 54 -6.013 -8.606 -2.828 1.00 0.00 C ATOM 849 CG TRP A 54 -5.137 -9.821 -2.870 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.812 -10.572 -3.965 1.00 0.00 C ATOM 851 CD2 TRP A 54 -4.507 -10.445 -1.753 1.00 0.00 C ATOM 852 NE1 TRP A 54 -3.990 -11.611 -3.593 1.00 0.00 N ATOM 853 CE2 TRP A 54 -3.792 -11.555 -2.238 1.00 0.00 C ATOM 854 CE3 TRP A 54 -4.474 -10.162 -0.389 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -3.049 -12.384 -1.401 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -3.741 -10.985 0.442 1.00 0.00 C ATOM 857 CH2 TRP A 54 -3.034 -12.084 -0.065 1.00 0.00 C ATOM 0 H TRP A 54 -7.503 -9.286 -4.890 1.00 0.00 H new ATOM 0 HA TRP A 54 -7.713 -9.569 -1.956 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.791 -7.974 -3.688 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.778 -8.025 -1.936 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.150 -10.379 -4.972 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.593 -12.309 -4.223 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -5.012 -9.315 0.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.505 -13.232 -1.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.712 -10.779 1.502 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.466 -12.706 0.611 1.00 0.00 H new ATOM 868 N HIS A 55 -8.449 -7.149 -1.517 1.00 0.00 N ATOM 869 CA HIS A 55 -9.248 -5.951 -1.294 1.00 0.00 C ATOM 870 C HIS A 55 -8.411 -4.804 -0.736 1.00 0.00 C ATOM 871 O HIS A 55 -8.817 -4.141 0.216 1.00 0.00 O ATOM 872 CB HIS A 55 -10.404 -6.260 -0.342 1.00 0.00 C ATOM 873 CG HIS A 55 -11.327 -7.326 -0.846 1.00 0.00 C ATOM 874 ND1 HIS A 55 -10.912 -8.609 -1.127 1.00 0.00 N ATOM 875 CD2 HIS A 55 -12.654 -7.294 -1.119 1.00 0.00 C ATOM 876 CE1 HIS A 55 -11.942 -9.321 -1.551 1.00 0.00 C ATOM 877 NE2 HIS A 55 -13.009 -8.546 -1.554 1.00 0.00 N ATOM 0 H HIS A 55 -7.996 -7.520 -0.682 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.642 -5.636 -2.260 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.998 -6.568 0.621 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.975 -5.348 -0.170 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -13.310 -6.442 -1.014 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.914 -10.360 -1.845 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -13.947 -8.831 -1.835 1.00 0.00 H new ATOM 886 N CYS A 56 -7.249 -4.561 -1.334 1.00 0.00 N ATOM 887 CA CYS A 56 -6.385 -3.475 -0.884 1.00 0.00 C ATOM 888 C CYS A 56 -7.129 -2.143 -0.948 1.00 0.00 C ATOM 889 O CYS A 56 -7.591 -1.732 -2.013 1.00 0.00 O ATOM 890 CB CYS A 56 -5.114 -3.410 -1.733 1.00 0.00 C ATOM 891 SG CYS A 56 -5.412 -3.102 -3.488 1.00 0.00 S ATOM 0 H CYS A 56 -6.886 -5.095 -2.124 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.101 -3.670 0.150 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.469 -2.623 -1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.571 -4.349 -1.627 1.00 0.00 H new ATOM 0 HG CYS A 56 -6.483 -2.378 -3.626 1.00 0.00 H new ATOM 897 N ILE A 57 -7.257 -1.482 0.199 1.00 0.00 N ATOM 898 CA ILE A 57 -7.960 -0.207 0.267 1.00 0.00 C ATOM 899 C ILE A 57 -7.017 0.925 0.646 1.00 0.00 C ATOM 900 O ILE A 57 -5.931 0.693 1.179 1.00 0.00 O ATOM 901 CB ILE A 57 -9.109 -0.255 1.292 1.00 0.00 C ATOM 902 CG1 ILE A 57 -9.971 -1.497 1.056 1.00 0.00 C ATOM 903 CG2 ILE A 57 -9.952 1.012 1.207 1.00 0.00 C ATOM 904 CD1 ILE A 57 -11.231 -1.532 1.893 1.00 0.00 C ATOM 0 H ILE A 57 -6.884 -1.808 1.091 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.368 -0.022 -0.727 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.685 -0.313 2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.244 -1.543 0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.378 -2.386 1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.759 0.962 1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.327 1.880 1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.374 1.102 0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.790 -2.441 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.966 -1.518 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.846 -0.662 1.661 1.00 0.00 H new ATOM 916 N VAL A 58 -7.441 2.152 0.370 1.00 0.00 N ATOM 917 CA VAL A 58 -6.641 3.328 0.684 1.00 0.00 C ATOM 918 C VAL A 58 -7.521 4.438 1.260 1.00 0.00 C ATOM 919 O VAL A 58 -8.471 4.879 0.614 1.00 0.00 O ATOM 920 CB VAL A 58 -5.910 3.863 -0.569 1.00 0.00 C ATOM 921 CG1 VAL A 58 -4.995 5.023 -0.200 1.00 0.00 C ATOM 922 CG2 VAL A 58 -5.131 2.755 -1.262 1.00 0.00 C ATOM 0 H VAL A 58 -8.337 2.358 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.899 3.027 1.423 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.661 4.229 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.489 5.386 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.586 5.829 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.254 4.685 0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.627 3.159 -2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.391 2.346 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.817 1.965 -1.569 1.00 0.00 H new ATOM 932 N GLY A 59 -7.206 4.889 2.474 1.00 0.00 N ATOM 933 CA GLY A 59 -7.993 5.944 3.095 1.00 0.00 C ATOM 934 C GLY A 59 -7.220 6.687 4.161 1.00 0.00 C ATOM 935 O GLY A 59 -5.997 6.662 4.173 1.00 0.00 O ATOM 0 H GLY A 59 -6.426 4.546 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.320 6.648 2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.891 5.512 3.536 1.00 0.00 H new ATOM 939 N ARG A 60 -7.933 7.354 5.063 1.00 0.00 N ATOM 940 CA ARG A 60 -7.290 8.103 6.134 1.00 0.00 C ATOM 941 C ARG A 60 -7.746 7.592 7.496 1.00 0.00 C ATOM 942 O ARG A 60 -7.019 6.873 8.181 1.00 0.00 O ATOM 943 CB ARG A 60 -7.591 9.601 6.013 1.00 0.00 C ATOM 944 CG ARG A 60 -7.054 10.245 4.742 1.00 0.00 C ATOM 945 CD ARG A 60 -7.908 9.910 3.530 1.00 0.00 C ATOM 946 NE ARG A 60 -7.429 10.579 2.322 1.00 0.00 N ATOM 947 CZ ARG A 60 -8.005 10.455 1.129 1.00 0.00 C ATOM 948 NH1 ARG A 60 -9.080 9.693 0.978 1.00 0.00 N ATOM 949 NH2 ARG A 60 -7.505 11.097 0.082 1.00 0.00 N ATOM 0 H ARG A 60 -8.952 7.391 5.073 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.214 7.956 6.043 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.670 9.748 6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.167 10.116 6.875 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.017 11.327 4.871 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.032 9.909 4.569 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.906 8.831 3.372 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.940 10.203 3.722 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.605 11.176 2.398 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.470 9.197 1.779 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.516 9.603 0.060 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.679 11.686 0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.946 11.002 -0.833 1.00 0.00 H new ATOM 963 N SER A 61 -8.958 7.969 7.875 1.00 0.00 N ATOM 964 CA SER A 61 -9.535 7.556 9.147 1.00 0.00 C ATOM 965 C SER A 61 -10.915 6.947 8.931 1.00 0.00 C ATOM 966 O SER A 61 -11.895 7.357 9.554 1.00 0.00 O ATOM 967 CB SER A 61 -9.626 8.748 10.102 1.00 0.00 C ATOM 968 OG SER A 61 -10.441 9.774 9.560 1.00 0.00 O ATOM 0 H SER A 61 -9.566 8.566 7.314 1.00 0.00 H new ATOM 0 HA SER A 61 -8.887 6.801 9.592 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.035 8.422 11.058 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.627 9.138 10.298 1.00 0.00 H new ATOM 0 HG SER A 61 -11.358 9.444 9.459 1.00 0.00 H new ATOM 974 N GLY A 62 -10.983 5.971 8.031 1.00 0.00 N ATOM 975 CA GLY A 62 -12.245 5.318 7.727 1.00 0.00 C ATOM 976 C GLY A 62 -12.545 4.138 8.633 1.00 0.00 C ATOM 977 O GLY A 62 -13.287 3.233 8.252 1.00 0.00 O ATOM 0 H GLY A 62 -10.183 5.619 7.504 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.052 6.046 7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.230 4.977 6.692 1.00 0.00 H new ATOM 981 N ASN A 63 -11.978 4.145 9.833 1.00 0.00 N ATOM 982 CA ASN A 63 -12.202 3.064 10.789 1.00 0.00 C ATOM 983 C ASN A 63 -11.667 1.741 10.247 1.00 0.00 C ATOM 984 O ASN A 63 -12.417 0.784 10.056 1.00 0.00 O ATOM 985 CB ASN A 63 -13.696 2.937 11.106 1.00 0.00 C ATOM 986 CG ASN A 63 -14.010 1.900 12.180 1.00 0.00 C ATOM 987 OD1 ASN A 63 -15.177 1.590 12.421 1.00 0.00 O ATOM 988 ND2 ASN A 63 -12.986 1.370 12.848 1.00 0.00 N ATOM 0 H ASN A 63 -11.361 4.885 10.168 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.664 3.303 11.706 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -14.073 3.907 11.429 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.231 2.675 10.193 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.157 0.685 13.584 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.031 1.649 12.623 1.00 0.00 H new ATOM 995 N PHE A 64 -10.361 1.695 10.007 1.00 0.00 N ATOM 996 CA PHE A 64 -9.715 0.492 9.493 1.00 0.00 C ATOM 997 C PHE A 64 -9.280 -0.429 10.630 1.00 0.00 C ATOM 998 O PHE A 64 -8.184 -0.993 10.600 1.00 0.00 O ATOM 999 CB PHE A 64 -8.499 0.866 8.643 1.00 0.00 C ATOM 1000 CG PHE A 64 -8.824 1.735 7.461 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -9.808 1.367 6.557 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -8.132 2.918 7.248 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -10.096 2.162 5.463 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -8.417 3.717 6.156 1.00 0.00 C ATOM 1005 CZ PHE A 64 -9.399 3.338 5.262 1.00 0.00 C ATOM 0 H PHE A 64 -9.727 2.479 10.161 1.00 0.00 H new ATOM 0 HA PHE A 64 -10.440 -0.038 8.876 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.774 1.382 9.272 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -8.021 -0.047 8.289 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -10.356 0.449 6.709 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.362 3.219 7.943 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -10.865 1.864 4.766 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -7.872 4.637 6.002 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.622 3.960 4.407 1.00 0.00 H new ATOM 1015 N GLY A 65 -10.139 -0.580 11.633 1.00 0.00 N ATOM 1016 CA GLY A 65 -9.817 -1.434 12.759 1.00 0.00 C ATOM 1017 C GLY A 65 -11.008 -2.231 13.255 1.00 0.00 C ATOM 1018 O GLY A 65 -10.942 -2.860 14.312 1.00 0.00 O ATOM 0 H GLY A 65 -11.051 -0.126 11.685 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.021 -2.121 12.472 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.431 -0.822 13.574 1.00 0.00 H new ATOM 1022 N SER A 66 -12.103 -2.211 12.497 1.00 0.00 N ATOM 1023 CA SER A 66 -13.304 -2.943 12.884 1.00 0.00 C ATOM 1024 C SER A 66 -14.079 -3.421 11.660 1.00 0.00 C ATOM 1025 O SER A 66 -15.302 -3.553 11.704 1.00 0.00 O ATOM 1026 CB SER A 66 -14.199 -2.068 13.761 1.00 0.00 C ATOM 1027 OG SER A 66 -15.371 -2.764 14.149 1.00 0.00 O ATOM 0 H SER A 66 -12.182 -1.700 11.618 1.00 0.00 H new ATOM 0 HA SER A 66 -12.993 -3.819 13.453 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.649 -1.754 14.648 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.473 -1.163 13.218 1.00 0.00 H new ATOM 0 HG SER A 66 -15.719 -3.270 13.385 1.00 0.00 H new ATOM 1033 N TYR A 67 -13.365 -3.682 10.572 1.00 0.00 N ATOM 1034 CA TYR A 67 -14.001 -4.151 9.343 1.00 0.00 C ATOM 1035 C TYR A 67 -12.973 -4.584 8.296 1.00 0.00 C ATOM 1036 O TYR A 67 -13.269 -4.612 7.102 1.00 0.00 O ATOM 1037 CB TYR A 67 -14.902 -3.055 8.768 1.00 0.00 C ATOM 1038 CG TYR A 67 -15.685 -3.488 7.549 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -16.574 -4.552 7.613 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -15.532 -2.833 6.334 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -17.292 -4.951 6.501 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -16.245 -3.226 5.215 1.00 0.00 C ATOM 1043 CZ TYR A 67 -17.123 -4.286 5.305 1.00 0.00 C ATOM 1044 OH TYR A 67 -17.834 -4.680 4.196 1.00 0.00 O ATOM 0 H TYR A 67 -12.352 -3.578 10.513 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.602 -5.024 9.597 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -15.599 -2.729 9.540 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -14.289 -2.193 8.507 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -16.707 -5.077 8.547 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.845 -2.003 6.261 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -17.982 -5.779 6.569 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -16.115 -2.706 4.277 1.00 0.00 H new ATOM 0 HH TYR A 67 -17.599 -4.107 3.436 1.00 0.00 H new ATOM 1054 N VAL A 68 -11.765 -4.921 8.741 1.00 0.00 N ATOM 1055 CA VAL A 68 -10.711 -5.350 7.829 1.00 0.00 C ATOM 1056 C VAL A 68 -10.590 -6.876 7.774 1.00 0.00 C ATOM 1057 O VAL A 68 -9.884 -7.418 6.926 1.00 0.00 O ATOM 1058 CB VAL A 68 -9.348 -4.750 8.230 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -8.274 -5.133 7.223 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -9.450 -3.238 8.362 1.00 0.00 C ATOM 0 H VAL A 68 -11.493 -4.905 9.724 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.990 -4.986 6.840 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.064 -5.160 9.199 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.321 -4.699 7.525 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.183 -6.218 7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.548 -4.756 6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.479 -2.831 8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.759 -2.810 7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.185 -2.988 9.127 1.00 0.00 H new ATOM 1070 N THR A 69 -11.282 -7.561 8.681 1.00 0.00 N ATOM 1071 CA THR A 69 -11.248 -9.020 8.732 1.00 0.00 C ATOM 1072 C THR A 69 -12.353 -9.626 7.893 1.00 0.00 C ATOM 1073 O THR A 69 -12.097 -10.432 6.999 1.00 0.00 O ATOM 1074 CB THR A 69 -11.370 -9.497 10.181 1.00 0.00 C ATOM 1075 OG1 THR A 69 -10.349 -8.929 10.982 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.280 -11.001 10.326 1.00 0.00 C ATOM 0 H THR A 69 -11.873 -7.129 9.391 1.00 0.00 H new ATOM 0 HA THR A 69 -10.293 -9.349 8.322 1.00 0.00 H new ATOM 0 HB THR A 69 -12.358 -9.174 10.509 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.478 -9.276 10.696 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.374 -11.271 11.378 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.083 -11.470 9.758 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.318 -11.346 9.947 1.00 0.00 H new ATOM 1084 N HIS A 70 -13.587 -9.261 8.196 1.00 0.00 N ATOM 1085 CA HIS A 70 -14.729 -9.801 7.474 1.00 0.00 C ATOM 1086 C HIS A 70 -14.742 -11.331 7.558 1.00 0.00 C ATOM 1087 O HIS A 70 -15.511 -11.991 6.860 1.00 0.00 O ATOM 1088 CB HIS A 70 -14.698 -9.354 6.011 1.00 0.00 C ATOM 1089 CG HIS A 70 -15.867 -9.838 5.212 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -17.174 -9.521 5.520 1.00 0.00 N ATOM 1091 CD2 HIS A 70 -15.924 -10.620 4.109 1.00 0.00 C ATOM 1092 CE1 HIS A 70 -17.981 -10.088 4.643 1.00 0.00 C ATOM 1093 NE2 HIS A 70 -17.248 -10.760 3.775 1.00 0.00 N ATOM 0 H HIS A 70 -13.824 -8.597 8.933 1.00 0.00 H new ATOM 0 HA HIS A 70 -15.639 -9.418 7.937 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -14.668 -8.265 5.973 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -13.779 -9.714 5.549 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -15.083 -11.054 3.588 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -19.058 -10.015 4.637 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -17.607 -11.296 2.985 1.00 0.00 H new ATOM 1102 N GLU A 71 -13.878 -11.883 8.418 1.00 0.00 N ATOM 1103 CA GLU A 71 -13.774 -13.326 8.607 1.00 0.00 C ATOM 1104 C GLU A 71 -13.062 -13.996 7.435 1.00 0.00 C ATOM 1105 O GLU A 71 -13.452 -15.081 7.002 1.00 0.00 O ATOM 1106 CB GLU A 71 -15.160 -13.951 8.805 1.00 0.00 C ATOM 1107 CG GLU A 71 -15.933 -13.357 9.972 1.00 0.00 C ATOM 1108 CD GLU A 71 -17.298 -13.993 10.156 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -17.642 -14.901 9.369 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -18.024 -13.584 11.087 1.00 0.00 O ATOM 0 H GLU A 71 -13.237 -11.341 8.997 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.179 -13.492 9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -15.741 -13.823 7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -15.047 -15.024 8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.353 -13.480 10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.055 -12.285 9.814 1.00 0.00 H new ATOM 1117 N THR A 72 -12.007 -13.357 6.930 1.00 0.00 N ATOM 1118 CA THR A 72 -11.249 -13.916 5.821 1.00 0.00 C ATOM 1119 C THR A 72 -10.230 -14.947 6.327 1.00 0.00 C ATOM 1120 O THR A 72 -10.610 -16.024 6.780 1.00 0.00 O ATOM 1121 CB THR A 72 -10.569 -12.791 5.029 1.00 0.00 C ATOM 1122 OG1 THR A 72 -9.624 -13.321 4.122 1.00 0.00 O ATOM 1123 CG2 THR A 72 -9.854 -11.774 5.898 1.00 0.00 C ATOM 0 H THR A 72 -11.663 -12.459 7.271 1.00 0.00 H new ATOM 0 HA THR A 72 -11.932 -14.436 5.149 1.00 0.00 H new ATOM 0 HB THR A 72 -11.380 -12.282 4.509 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.333 -12.618 3.505 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.399 -11.011 5.266 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.570 -11.306 6.574 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.079 -12.273 6.479 1.00 0.00 H new ATOM 1131 N LYS A 73 -8.944 -14.610 6.256 1.00 0.00 N ATOM 1132 CA LYS A 73 -7.867 -15.488 6.706 1.00 0.00 C ATOM 1133 C LYS A 73 -6.637 -14.656 7.042 1.00 0.00 C ATOM 1134 O LYS A 73 -6.293 -14.470 8.209 1.00 0.00 O ATOM 1135 CB LYS A 73 -7.523 -16.516 5.624 1.00 0.00 C ATOM 1136 CG LYS A 73 -8.661 -17.466 5.305 1.00 0.00 C ATOM 1137 CD LYS A 73 -9.074 -18.256 6.533 1.00 0.00 C ATOM 1138 CE LYS A 73 -10.260 -19.160 6.243 1.00 0.00 C ATOM 1139 NZ LYS A 73 -10.672 -19.939 7.442 1.00 0.00 N ATOM 0 H LYS A 73 -8.619 -13.718 5.884 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.198 -16.022 7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.234 -15.990 4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.657 -17.095 5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.514 -16.902 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.356 -18.151 4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.233 -18.857 6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.328 -17.569 7.340 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.099 -18.557 5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.005 -19.846 5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.484 -20.543 7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.880 -20.534 7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.941 -19.285 8.205 1.00 0.00 H new ATOM 1153 N HIS A 74 -6.004 -14.134 6.002 1.00 0.00 N ATOM 1154 CA HIS A 74 -4.832 -13.284 6.157 1.00 0.00 C ATOM 1155 C HIS A 74 -5.198 -11.859 5.769 1.00 0.00 C ATOM 1156 O HIS A 74 -6.211 -11.641 5.105 1.00 0.00 O ATOM 1157 CB HIS A 74 -3.681 -13.793 5.287 1.00 0.00 C ATOM 1158 CG HIS A 74 -3.256 -15.190 5.615 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -2.789 -15.564 6.858 1.00 0.00 N ATOM 1160 CD2 HIS A 74 -3.228 -16.310 4.853 1.00 0.00 C ATOM 1161 CE1 HIS A 74 -2.493 -16.852 6.847 1.00 0.00 C ATOM 1162 NE2 HIS A 74 -2.751 -17.327 5.643 1.00 0.00 N ATOM 0 H HIS A 74 -6.285 -14.286 5.033 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.504 -13.306 7.196 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -3.981 -13.750 4.240 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -2.827 -13.126 5.402 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -2.688 -14.943 7.661 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -3.525 -16.388 3.818 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.106 -17.419 7.681 1.00 0.00 H new ATOM 1171 N PHE A 75 -4.389 -10.887 6.176 1.00 0.00 N ATOM 1172 CA PHE A 75 -4.677 -9.494 5.847 1.00 0.00 C ATOM 1173 C PHE A 75 -3.643 -8.554 6.439 1.00 0.00 C ATOM 1174 O PHE A 75 -2.946 -8.894 7.394 1.00 0.00 O ATOM 1175 CB PHE A 75 -6.073 -9.100 6.343 1.00 0.00 C ATOM 1176 CG PHE A 75 -6.279 -9.298 7.818 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -5.568 -8.547 8.742 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -7.187 -10.236 8.281 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -5.760 -8.729 10.098 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -7.384 -10.423 9.637 1.00 0.00 C ATOM 1181 CZ PHE A 75 -6.669 -9.668 10.546 1.00 0.00 C ATOM 0 H PHE A 75 -3.542 -11.032 6.725 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.640 -9.404 4.761 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.251 -8.053 6.100 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.817 -9.684 5.802 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.856 -7.811 8.398 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.748 -10.829 7.574 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.200 -8.138 10.807 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.095 -11.158 9.984 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.820 -9.811 11.606 1.00 0.00 H new ATOM 1191 N ILE A 76 -3.559 -7.361 5.867 1.00 0.00 N ATOM 1192 CA ILE A 76 -2.619 -6.355 6.337 1.00 0.00 C ATOM 1193 C ILE A 76 -3.194 -4.958 6.205 1.00 0.00 C ATOM 1194 O ILE A 76 -4.089 -4.706 5.396 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.274 -6.431 5.586 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.381 -5.228 5.915 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -1.496 -6.534 4.086 1.00 0.00 C ATOM 1198 CD1 ILE A 76 0.967 -5.271 5.229 1.00 0.00 C ATOM 0 H ILE A 76 -4.132 -7.067 5.076 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.439 -6.567 7.391 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.761 -7.332 5.922 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.898 -4.313 5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.230 -5.182 6.993 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.533 -6.586 3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.072 -7.432 3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.042 -5.657 3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.545 -4.390 5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.503 -6.169 5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.825 -5.286 4.148 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.661 -4.058 7.010 1.00 0.00 N ATOM 1211 CA TYR A 77 -3.100 -2.669 7.004 1.00 0.00 C ATOM 1212 C TYR A 77 -2.112 -1.781 7.749 1.00 0.00 C ATOM 1213 O TYR A 77 -1.788 -2.026 8.909 1.00 0.00 O ATOM 1214 CB TYR A 77 -4.503 -2.556 7.604 1.00 0.00 C ATOM 1215 CG TYR A 77 -4.714 -3.390 8.847 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -4.170 -3.011 10.064 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -5.456 -4.565 8.798 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -4.357 -3.776 11.199 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -5.648 -5.336 9.928 1.00 0.00 C ATOM 1220 CZ TYR A 77 -5.097 -4.937 11.126 1.00 0.00 C ATOM 1221 OH TYR A 77 -5.285 -5.702 12.255 1.00 0.00 O ATOM 0 H TYR A 77 -1.920 -4.262 7.680 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.139 -2.323 5.971 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.701 -1.511 7.843 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.233 -2.854 6.852 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.590 -2.102 10.126 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.890 -4.880 7.860 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.925 -3.466 12.139 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.227 -6.246 9.873 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.830 -6.486 12.032 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.628 -0.752 7.060 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.665 0.176 7.647 1.00 0.00 C ATOM 1233 C PHE A 78 -1.067 1.625 7.391 1.00 0.00 C ATOM 1234 O PHE A 78 -1.822 1.918 6.464 1.00 0.00 O ATOM 1235 CB PHE A 78 0.738 -0.085 7.093 1.00 0.00 C ATOM 1236 CG PHE A 78 0.831 0.013 5.595 1.00 0.00 C ATOM 1237 CD1 PHE A 78 0.142 -0.874 4.783 1.00 0.00 C ATOM 1238 CD2 PHE A 78 1.610 0.993 5.001 1.00 0.00 C ATOM 1239 CE1 PHE A 78 0.227 -0.786 3.407 1.00 0.00 C ATOM 1240 CE2 PHE A 78 1.699 1.086 3.623 1.00 0.00 C ATOM 1241 CZ PHE A 78 1.007 0.195 2.827 1.00 0.00 C ATOM 0 H PHE A 78 -1.886 -0.539 6.096 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.658 0.009 8.724 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.432 0.629 7.538 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.061 -1.079 7.403 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.469 -1.643 5.232 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.153 1.692 5.620 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.316 -1.483 2.786 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.309 1.854 3.171 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.076 0.265 1.751 1.00 0.00 H new ATOM 1251 N TYR A 79 -0.560 2.527 8.228 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.869 3.948 8.103 1.00 0.00 C ATOM 1253 C TYR A 79 0.318 4.729 7.543 1.00 0.00 C ATOM 1254 O TYR A 79 1.472 4.338 7.713 1.00 0.00 O ATOM 1255 CB TYR A 79 -1.266 4.524 9.467 1.00 0.00 C ATOM 1256 CG TYR A 79 -2.526 3.923 10.060 1.00 0.00 C ATOM 1257 CD1 TYR A 79 -3.304 3.016 9.347 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -2.939 4.271 11.342 1.00 0.00 C ATOM 1259 CE1 TYR A 79 -4.452 2.474 9.895 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -4.087 3.734 11.893 1.00 0.00 C ATOM 1261 CZ TYR A 79 -4.839 2.836 11.167 1.00 0.00 C ATOM 1262 OH TYR A 79 -5.981 2.299 11.714 1.00 0.00 O ATOM 0 H TYR A 79 0.067 2.299 9.000 1.00 0.00 H new ATOM 0 HA TYR A 79 -1.703 4.047 7.408 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.443 4.372 10.165 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.404 5.601 9.366 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.006 2.731 8.349 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.353 4.973 11.916 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.043 1.770 9.328 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -4.394 4.017 12.889 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.111 2.657 12.617 1.00 0.00 H new ATOM 1272 N LEU A 80 0.016 5.842 6.884 1.00 0.00 N ATOM 1273 CA LEU A 80 1.039 6.703 6.302 1.00 0.00 C ATOM 1274 C LEU A 80 0.778 8.151 6.697 1.00 0.00 C ATOM 1275 O LEU A 80 0.309 8.952 5.887 1.00 0.00 O ATOM 1276 CB LEU A 80 1.053 6.571 4.776 1.00 0.00 C ATOM 1277 CG LEU A 80 1.413 5.185 4.235 1.00 0.00 C ATOM 1278 CD1 LEU A 80 0.358 4.159 4.625 1.00 0.00 C ATOM 1279 CD2 LEU A 80 1.579 5.232 2.724 1.00 0.00 C ATOM 0 H LEU A 80 -0.938 6.171 6.739 1.00 0.00 H new ATOM 0 HA LEU A 80 2.013 6.394 6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.069 6.845 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.762 7.294 4.373 1.00 0.00 H new ATOM 0 HG LEU A 80 2.361 4.881 4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.636 3.182 4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.288 4.104 5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.607 4.455 4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.835 4.239 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.646 5.560 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.375 5.931 2.467 1.00 0.00 H new ATOM 1291 N GLY A 81 1.058 8.475 7.956 1.00 0.00 N ATOM 1292 CA GLY A 81 0.820 9.823 8.440 1.00 0.00 C ATOM 1293 C GLY A 81 -0.656 10.071 8.678 1.00 0.00 C ATOM 1294 O GLY A 81 -1.126 10.037 9.814 1.00 0.00 O ATOM 0 H GLY A 81 1.444 7.831 8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.371 9.981 9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.200 10.544 7.716 1.00 0.00 H new ATOM 1298 N GLN A 82 -1.392 10.297 7.594 1.00 0.00 N ATOM 1299 CA GLN A 82 -2.829 10.525 7.674 1.00 0.00 C ATOM 1300 C GLN A 82 -3.590 9.497 6.842 1.00 0.00 C ATOM 1301 O GLN A 82 -4.814 9.399 6.935 1.00 0.00 O ATOM 1302 CB GLN A 82 -3.186 11.934 7.200 1.00 0.00 C ATOM 1303 CG GLN A 82 -2.721 12.235 5.783 1.00 0.00 C ATOM 1304 CD GLN A 82 -3.085 13.637 5.336 1.00 0.00 C ATOM 1305 OE1 GLN A 82 -2.668 14.623 5.944 1.00 0.00 O ATOM 1306 NE2 GLN A 82 -3.867 13.734 4.266 1.00 0.00 N ATOM 0 H GLN A 82 -1.014 10.327 6.647 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.121 10.420 8.719 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.267 12.064 7.254 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.743 12.661 7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.640 12.108 5.725 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.164 11.512 5.098 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.190 12.890 3.792 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.144 14.652 3.918 1.00 0.00 H new ATOM 1315 N VAL A 83 -2.865 8.732 6.026 1.00 0.00 N ATOM 1316 CA VAL A 83 -3.485 7.721 5.184 1.00 0.00 C ATOM 1317 C VAL A 83 -3.439 6.365 5.876 1.00 0.00 C ATOM 1318 O VAL A 83 -2.775 6.199 6.899 1.00 0.00 O ATOM 1319 CB VAL A 83 -2.784 7.606 3.810 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -3.766 7.169 2.732 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -2.108 8.914 3.425 1.00 0.00 C ATOM 0 H VAL A 83 -1.851 8.796 5.933 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.518 8.027 5.019 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.011 6.842 3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.248 7.096 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.184 6.197 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.570 7.901 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.624 8.802 2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.854 9.706 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.361 9.172 4.175 1.00 0.00 H new ATOM 1331 N ALA A 84 -4.144 5.397 5.311 1.00 0.00 N ATOM 1332 CA ALA A 84 -4.187 4.056 5.863 1.00 0.00 C ATOM 1333 C ALA A 84 -4.541 3.055 4.776 1.00 0.00 C ATOM 1334 O ALA A 84 -5.698 2.952 4.365 1.00 0.00 O ATOM 1335 CB ALA A 84 -5.187 3.982 7.006 1.00 0.00 C ATOM 0 H ALA A 84 -4.698 5.519 4.463 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.201 3.808 6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.206 2.969 7.408 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.894 4.679 7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -6.179 4.245 6.639 1.00 0.00 H new ATOM 1341 N ILE A 85 -3.538 2.327 4.302 1.00 0.00 N ATOM 1342 CA ILE A 85 -3.752 1.345 3.255 1.00 0.00 C ATOM 1343 C ILE A 85 -3.941 -0.048 3.823 1.00 0.00 C ATOM 1344 O ILE A 85 -3.169 -0.511 4.663 1.00 0.00 O ATOM 1345 CB ILE A 85 -2.606 1.345 2.220 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -2.896 2.393 1.154 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -2.429 -0.030 1.580 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -1.851 2.458 0.059 1.00 0.00 C ATOM 0 H ILE A 85 -2.574 2.400 4.626 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.670 1.636 2.744 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.675 1.587 2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.866 2.182 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.971 3.371 1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.614 0.007 0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.196 -0.763 2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.351 -0.317 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.127 3.227 -0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.882 2.700 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.791 1.493 -0.445 1.00 0.00 H new ATOM 1360 N LEU A 86 -4.981 -0.706 3.344 1.00 0.00 N ATOM 1361 CA LEU A 86 -5.301 -2.055 3.778 1.00 0.00 C ATOM 1362 C LEU A 86 -5.077 -3.038 2.640 1.00 0.00 C ATOM 1363 O LEU A 86 -4.867 -2.635 1.497 1.00 0.00 O ATOM 1364 CB LEU A 86 -6.755 -2.137 4.238 1.00 0.00 C ATOM 1365 CG LEU A 86 -7.187 -1.062 5.233 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -7.222 0.306 4.569 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -8.543 -1.410 5.828 1.00 0.00 C ATOM 0 H LEU A 86 -5.623 -0.325 2.649 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.648 -2.310 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.400 -2.077 3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.921 -3.115 4.690 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.456 -1.023 6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.532 1.056 5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.229 0.554 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.930 0.290 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.839 -0.636 6.536 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.284 -1.476 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.479 -2.368 6.344 1.00 0.00 H new ATOM 1379 N LEU A 87 -5.134 -4.324 2.953 1.00 0.00 N ATOM 1380 CA LEU A 87 -4.949 -5.358 1.946 1.00 0.00 C ATOM 1381 C LEU A 87 -5.285 -6.729 2.515 1.00 0.00 C ATOM 1382 O LEU A 87 -4.593 -7.230 3.398 1.00 0.00 O ATOM 1383 CB LEU A 87 -3.516 -5.325 1.413 1.00 0.00 C ATOM 1384 CG LEU A 87 -3.224 -6.282 0.254 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -1.926 -5.893 -0.433 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -3.143 -7.716 0.749 1.00 0.00 C ATOM 0 H LEU A 87 -5.307 -4.676 3.895 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.630 -5.163 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.290 -4.309 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.836 -5.556 2.233 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.041 -6.210 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.729 -6.581 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.010 -4.878 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.106 -5.941 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.935 -8.379 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.345 -7.802 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.091 -7.997 1.207 1.00 0.00 H new ATOM 1398 N PHE A 88 -6.350 -7.335 2.003 1.00 0.00 N ATOM 1399 CA PHE A 88 -6.769 -8.650 2.470 1.00 0.00 C ATOM 1400 C PHE A 88 -7.486 -9.420 1.361 1.00 0.00 C ATOM 1401 O PHE A 88 -8.035 -8.823 0.434 1.00 0.00 O ATOM 1402 CB PHE A 88 -7.687 -8.510 3.688 1.00 0.00 C ATOM 1403 CG PHE A 88 -8.996 -7.828 3.393 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -9.973 -8.463 2.641 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -9.248 -6.551 3.868 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -11.175 -7.838 2.371 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -10.448 -5.921 3.599 1.00 0.00 C ATOM 1408 CZ PHE A 88 -11.413 -6.565 2.851 1.00 0.00 C ATOM 0 H PHE A 88 -6.936 -6.939 1.268 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.878 -9.209 2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.889 -9.501 4.094 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.163 -7.949 4.462 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.792 -9.458 2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -8.498 -6.042 4.455 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.928 -8.344 1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.631 -4.925 3.974 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.352 -6.074 2.642 1.00 0.00 H new ATOM 1418 N LYS A 89 -7.484 -10.744 1.467 1.00 0.00 N ATOM 1419 CA LYS A 89 -8.143 -11.595 0.481 1.00 0.00 C ATOM 1420 C LYS A 89 -9.076 -12.581 1.172 1.00 0.00 C ATOM 1421 O LYS A 89 -8.633 -13.446 1.926 1.00 0.00 O ATOM 1422 CB LYS A 89 -7.106 -12.339 -0.363 1.00 0.00 C ATOM 1423 CG LYS A 89 -7.714 -13.258 -1.409 1.00 0.00 C ATOM 1424 CD LYS A 89 -7.582 -14.726 -1.032 1.00 0.00 C ATOM 1425 CE LYS A 89 -6.159 -15.236 -1.223 1.00 0.00 C ATOM 1426 NZ LYS A 89 -5.212 -14.669 -0.224 1.00 0.00 N ATOM 0 H LYS A 89 -7.033 -11.253 2.227 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.735 -10.964 -0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.466 -11.611 -0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.468 -12.927 0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.768 -13.011 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.226 -13.086 -2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.880 -14.862 0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.265 -15.320 -1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.153 -16.323 -1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.818 -14.984 -2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.415 -15.324 -0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.855 -13.753 -0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.704 -14.533 0.682 1.00 0.00 H new ATOM 1440 N SER A 90 -10.371 -12.437 0.908 1.00 0.00 N ATOM 1441 CA SER A 90 -11.378 -13.307 1.506 1.00 0.00 C ATOM 1442 C SER A 90 -11.692 -14.484 0.594 1.00 0.00 C ATOM 1443 O SER A 90 -12.774 -15.066 0.659 1.00 0.00 O ATOM 1444 CB SER A 90 -12.655 -12.518 1.798 1.00 0.00 C ATOM 1445 OG SER A 90 -12.401 -11.443 2.686 1.00 0.00 O ATOM 0 H SER A 90 -10.748 -11.725 0.283 1.00 0.00 H new ATOM 0 HA SER A 90 -10.976 -13.695 2.442 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.069 -12.133 0.866 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.405 -13.181 2.230 1.00 0.00 H new ATOM 0 HG SER A 90 -13.234 -10.954 2.854 1.00 0.00 H new ATOM 1451 N GLY A 91 -10.737 -14.828 -0.258 1.00 0.00 N ATOM 1452 CA GLY A 91 -10.923 -15.934 -1.178 1.00 0.00 C ATOM 1453 C GLY A 91 -11.799 -15.565 -2.359 1.00 0.00 C ATOM 1454 O GLY A 91 -12.072 -16.450 -3.195 1.00 0.00 O ATOM 1455 OXT GLY A 91 -12.211 -14.389 -2.446 1.00 0.00 O ATOM 0 H GLY A 91 -9.834 -14.360 -0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.951 -16.268 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.370 -16.774 -0.646 1.00 0.00 H new